CID 11029774

(s)-3-hydroxypyrrolidin-2-one

Structural Information

Molecular Formula

SMILES

C1CNC(=O)[C@H]1O

InChI

InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1

InChIKey

FRKGSNOMLIYPSH-VKHMYHEASA-N

Compound name

(3S)-3-hydroxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 922
Patents: 101.047676 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	102.05495	118.5
[M+Na]+	124.03689	127.7
[M+NH4]+	119.08150	126.1
[M+K]+	140.01083	125.4
[M-H]-	100.04040	117.6
[M+Na-2H]-	122.02234	121.8
[M]+	101.04713	119.1
[M]-	101.04822	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe